6-[(2-deuteriomorpholin-2-yl)methoxy]-4-[5-[6-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H32N8O3 — CID 163635826

About 6-[(2-deuteriomorpholin-2-yl)methoxy]-4-[5-[6-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[(2-deuteriomorpholin-2-yl)methoxy]-4-[5-[6-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 163635826) has the molecular formula C30H32N8O3 and a molecular weight of 553.65 g/mol. Its IUPAC name is 6-[(2-deuteriomorpholin-2-yl)methoxy]-4-[5-[6-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[(2-deuteriomorpholin-2-yl)methoxy]-4-[5-[6-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 163635826
• Molecular Formula: C30H32N8O3
• Molecular Weight: 553.65 g/mol
• Exact Mass: 553.27
• IUPAC Name: 6-[(2-deuteriomorpholin-2-yl)methoxy]-4-[5-[6-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: [2H]C1(COc2cc(-c3cnc(N4CC5CC(C4)N5Cc4ccc(OC)cc4)cn3)c3c(C#N)cnn3c2)CNCCO1
• InChI: InChI=1S/C30H32N8O3/c1-39-24-4-2-20(3-5-24)15-37-22-8-23(37)17-36(16-22)29-14-33-28(13-34-29)27-9-25(41-19-26-12-32-6-7-40-26)18-38-30(27)21(10-31)11-35-38/h2-5,9,11,13-14,18,22-23,26,32H,6-8,12,15-17,19H2,1H3/i26D
• InChIKey: TZMVYFQVALOWTI-HKAOEGRMSA-N
• XLogP: 2.50
• TPSA: 113.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.65
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-[(2-deuteriomorpholin-2-yl)methoxy]-4-[5-[6-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[(2-deuteriomorpholin-2-yl)methoxy]-4-[5-[6-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 163635826) is 6-[(2-deuteriomorpholin-2-yl)methoxy]-4-[5-[6-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[(2-deuteriomorpholin-2-yl)methoxy]-4-[5-[6-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[(2-deuteriomorpholin-2-yl)methoxy]-4-[5-[6-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is [2H]C1(COc2cc(-c3cnc(N4CC5CC(C4)N5Cc4ccc(OC)cc4)cn3)c3c(C#N)cnn3c2)CNCCO1.

What is the InChIKey of 6-[(2-deuteriomorpholin-2-yl)methoxy]-4-[5-[6-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is TZMVYFQVALOWTI-HKAOEGRMSA-N. The full InChI is InChI=1S/C30H32N8O3/c1-39-24-4-2-20(3-5-24)15-37-22-8-23(37)17-36(16-22)29-14-33-28(13-34-29)27-9-25(41-19-26-12-32-6-7-40-26)18-38-30(27)21(10-31)11-35-38/h2-5,9,11,13-14,18,22-23,26,32H,6-8,12,15-17,19H2,1H3/i26D.

What are the key properties of 6-[(2-deuteriomorpholin-2-yl)methoxy]-4-[5-[6-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[(2-deuteriomorpholin-2-yl)methoxy]-4-[5-[6-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 553.65 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-deuteriomorpholin-2-yl)methoxy]-4-[5-[6-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 163635826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).